REMARK  Name = BDB032991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.228   0.191   0.936  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.108  -0.239  -0.029  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.783  -0.423  -0.967  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.440   0.366   2.127  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.570  -1.089   1.189  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.480  -0.282   0.546  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -2.163  -0.378   1.006  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -1.149   0.399   0.425  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -1.445   1.326  -0.591  0.00  0.00    -0.038 A 
ATOM     10  C   LIG    1       -0.405   2.223  -1.200  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.770   1.412  -1.045  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.775   0.621  -0.480  0.00  0.00    +0.003 A 
ENDBRANCH   1   8
BRANCH   2  13
ATOM     13  C   LIG    1        2.424  -0.485   0.236  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.307  -1.053  -1.114  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        4.695  -1.123  -0.132  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        4.410  -0.713   1.148  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        3.093  -0.342   1.352  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        5.956  -1.560  -0.637  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        6.025  -1.889  -1.828  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        6.896  -1.573   0.168  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3